8013-2688 Screening compound: N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}pyridine-3-carboxamide

8013-2688 Screening compound: N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}pyridine-3-carboxamide
8013-2688 Screening compound: N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2688
N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}pyridine-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8013-2688

Molecular Formula

C17H10F6N4O4 (C17 H10 F6 N4 O4)

Compound Name

N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}pyridine-3-carboxamide

IUPAC name

N-{25-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)NC(C(F)(F)F)(C(N1c(cc2)ccc2OC(F)(F)F)=O)NC1=O

InChI

InChI=1S/C17H10F6N4O4/c18-16(19,20)15(25-12(28)9-2-1-7-24-8-9)13(29)27(14(30)26-15)10-3-5-11(6-4-10)31-17(21,22)23/h1-8H,(H,25,28)(H,26,30)/t15-/m1/s1

InChI Key

HTJCLEVCLFPZGN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03764086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.575

Distribution Coefficient, logD

-0.423

Water Solubility, LogSw

-2.61

Polar Surface Area

80.640

Acid Dissociation Constant (pKa)

4.40

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8013-2688 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-2688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2688?
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What is the minimum amount of 8013-2688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2688
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8013-2688 available by request